Detailed information for compound 916673

Basic information

Technical information
  • TDR Targets ID: 916673
  • Name: 2-methyl-N-[(4-methylphenyl)methylideneamino] imidazo[3,2-a]pyridine-3-carboxamide
  • MW: 292.335 | Formula: C17H16N4O
  • H donors: 1 H acceptors: 2 LogP: 3.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)/C=N/NC(=O)c1c(C)nc2n1cccc2
  • InChi: 1S/C17H16N4O/c1-12-6-8-14(9-7-12)11-18-20-17(22)16-13(2)19-15-5-3-4-10-21(15)16/h3-11H,1-2H3,(H,20,22)/b18-11+
  • InChiKey: BVPFUKZKGPSCKH-WOJGMQOQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-N-[(4-methylphenyl)methyleneamino]imidazo[3,2-a]pyridine-3-carboxamide
  • 2-methyl-N-[(4-methylphenyl)methyleneamino]-3-imidazo[3,2-a]pyridinecarboxamide
  • 2-methyl-N-[(4-methylbenzylidene)amino]imidazo[3,2-a]pyridine-3-carboxamide
  • AH-487/36443046

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum pantoate--beta-alanine ligase, putative Get druggable targets OG5_129569 All targets in OG5_129569
Mycobacterium ulcerans pantoate--beta-alanine ligase Get druggable targets OG5_129569 All targets in OG5_129569
Toxoplasma gondii pantoate-beta-alanine ligase Get druggable targets OG5_129569 All targets in OG5_129569
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) Get druggable targets OG5_129569 All targets in OG5_129569
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) Get druggable targets OG5_129569 All targets in OG5_129569
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0026 0.0208 0.0524
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0086 0.1248
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0342 0.0342
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.013 0.0305
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0086 0.0108
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0529 0.1468
Brugia malayi Bromodomain containing protein 0.004 0.0381 0.1006
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.033 0.0277
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0199 0.0199
Echinococcus granulosus zinc finger protein 0.0022 0.0161 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1061 0.1061
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0092 0.015
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0019 0.0121 0.069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1061 0.173
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0026 0.0208 0.0308
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.033 0.9645
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.033 0.0277
Trypanosoma brucei ISWI complex protein 0.0016 0.0086 0.0983
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0092 0.0092
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0342 0.0242
Loa Loa (eye worm) hypothetical protein 0.0022 0.0163 0.0453
Schistosoma mansoni zinc finger protein 0.0016 0.0086 0.0107
Plasmodium vivax hypothetical protein, conserved 0.0036 0.033 0.5272
Echinococcus multilocularis survival motor neuron protein 1 0.0254 0.3043 0.3043
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0051 0.0051
Schistosoma mansoni ap endonuclease 0.0019 0.013 0.0179
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0023 0.0008
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.013 0.3401
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0121 0.1679
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.033 0.5742
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0725 0.8888 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0086 0.0058
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0121 0.0337
Echinococcus granulosus survival motor neuron protein 1 0.0254 0.3043 0.4963
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0342 0.5964
Mycobacterium ulcerans hypothetical protein 0.0036 0.033 0.0229
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0342 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1061 0.1703
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0092 0.015
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.013 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0019 0.0121 0.1914
Echinococcus multilocularis GPCR, family 2 0.0016 0.0092 0.0092
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.033 0.9645
Mycobacterium ulcerans beta-lactamase 0.0036 0.033 0.0229
Loa Loa (eye worm) hypothetical protein 0.0036 0.033 0.0916
Loa Loa (eye worm) hypothetical protein 0.0013 0.0045 0.0126
Echinococcus multilocularis lamin 0.0027 0.0225 0.0225
Schistosoma mansoni cpg binding protein 0.0029 0.0247 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus multilocularis musashi 0.0027 0.0225 0.0225
Mycobacterium tuberculosis Conserved protein 0.0036 0.033 0.0277
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.0121 0.1679
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.1061 0.2943
Echinococcus multilocularis neuropeptide receptor A26 0.0466 0.5674 0.5674
Brugia malayi intermediate filament protein 0.0027 0.0225 0.0573
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0019 0.0121 0.315
Brugia malayi follicle stimulating hormone receptor 0.0229 0.2727 0.7549
Schistosoma mansoni hypothetical protein 0.0503 0.6132 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.013 0.2067
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0351 0.0351
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0019 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0035 0.0327 0.0906
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0549 0.058
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0121 0.0282
Echinococcus multilocularis dnaJ subfamily B 0.0411 0.4989 0.4989
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0086 0.0011
Schistosoma mansoni zinc finger protein 0.0022 0.0161 0.023
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0086 0.0086
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0199 0.0293
Schistosoma mansoni hypothetical protein 0.0016 0.0086 0.0107
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0225 0.0625
Toxoplasma gondii FATC domain-containing protein 0.0026 0.0208 0.0195
Echinococcus multilocularis zinc finger protein 0.0022 0.0161 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0208 0.5848
Schistosoma mansoni survival motor neuron protein 0.0052 0.0532 0.0838
Entamoeba histolytica hypothetical protein 0.0026 0.0208 0.5848
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0056
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.033 0.5862
Echinococcus granulosus serine protein kinase ATM 0.0026 0.0208 0.0339
Toxoplasma gondii pantoate-beta-alanine ligase 0.0725 0.8888 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.033 0.0916
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.033 0.033
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0108 0.0144
Loa Loa (eye worm) hypothetical protein 0.0073 0.0797 0.2212
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0342 0.4933
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1061 0.173
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.013 0.0845
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.033 0.9645
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Trypanosoma cruzi ISWI complex protein 0.0016 0.0086 0.1238
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.1061 0.2903
Brugia malayi Inositol-1 0.0036 0.0342 0.0897
Mycobacterium leprae conserved hypothetical protein 0.0036 0.033 0.0042
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.033 0.5862
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0116 0.0322
Onchocerca volvulus 0.0052 0.0532 0.0908
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0116 0.0157
Loa Loa (eye worm) beta-lactamase 0.0036 0.033 0.0916
Schistosoma mansoni inositol monophosphatase 0.0036 0.0342 0.0526
Schistosoma mansoni hypothetical protein 0.0016 0.0092 0.0117
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0556 0.1543
Loa Loa (eye worm) hypothetical protein 0.0013 0.0045 0.0126
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0097
Leishmania major hypothetical protein, conserved 0.0036 0.033 0.4714
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1061 0.1703
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0019 0.0121 0.0198
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0342 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0604 0.0986
Schistosoma mansoni hypothetical protein 0.0052 0.0532 0.0838
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0121 0.1914
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.033 0.0507
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0019 0.0121 0.069
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0725 0.8888 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.013 0.0936
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0086 0.0994
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.033 0.0507
Loa Loa (eye worm) hypothetical protein 0.0036 0.033 0.0916
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0086 0.0184
Brugia malayi Bromodomain containing protein 0.0079 0.0873 0.2378
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0019 0.0121 0.069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0649 0.1029
Schistosoma mansoni hypothetical protein 0.0035 0.0327 0.0502
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0121 0.1679
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0247 0.0686
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0011 0.002 0.002
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.033 0.9645
Onchocerca volvulus 0.0036 0.033 0.031
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0294 0.0236
Loa Loa (eye worm) hypothetical protein 0.0036 0.033 0.0916
Echinococcus multilocularis serine protein kinase ATM 0.0026 0.0208 0.0208
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0051 0.0084
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0529 0.142
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0026 0.0208 0.3367
Echinococcus granulosus lamin dm0 0.0027 0.0225 0.0368
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0086 0.0058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Schistosoma mansoni hypothetical protein 0.0024 0.0185 0.027
Schistosoma mansoni hypothetical protein 0.0411 0.4989 0.8131
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.033 0.9645
Mycobacterium tuberculosis Conserved protein 0.0036 0.033 0.0277
Schistosoma mansoni cpg binding protein 0.0032 0.0292 0.0445
Toxoplasma gondii exonuclease III APE 0.0019 0.013 0.0107
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.033 0.0539
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0116 0.0189
Trypanosoma cruzi target of rapamycin kinase 3 0.0019 0.0121 0.1914
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0225 0.0573
Loa Loa (eye worm) hypothetical protein 0.0254 0.3043 0.8441
Echinococcus multilocularis geminin 0.0503 0.6132 0.6132
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0549 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0598 0.0636
Echinococcus granulosus cpg binding protein 0.0032 0.0292 0.0477
Loa Loa (eye worm) hypothetical protein 0.0027 0.0225 0.0625
Schistosoma mansoni hypothetical protein 0.0016 0.0092 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Loa Loa (eye worm) hypothetical protein 0.0027 0.0219 0.0608
Schistosoma mansoni inositol monophosphatase 0.0036 0.0342 0.0526
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.013 0.5
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0185 0.0185
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0351 0.0572
Echinococcus granulosus neuropeptide s receptor 0.0466 0.5674 0.9254
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0549 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0019 0.0122 0.1923
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0108 0.0108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1061 0.1703
Echinococcus granulosus intermediate filament protein 0.0027 0.0225 0.0368
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Toxoplasma gondii ABC1 family protein 0.0036 0.033 0.0333
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0604 0.0542
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.013 0.0359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Loa Loa (eye worm) hypothetical protein 0.0053 0.0549 0.1523
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.013 0.2067
Brugia malayi beta-lactamase 0.0036 0.033 0.0865
Schistosoma mansoni cpg binding protein 0.0032 0.0292 0.0445
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0069 0.0192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0019 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0052 0.0529 0.1468
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.033 0.0277
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.033 0.0277
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0019 0.0121 0.315
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0342 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.013 0.3401
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0086 0.0086
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.004 0.0382 0.1059
Loa Loa (eye worm) inositol-1 0.0036 0.0342 0.0948
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0092 0.02
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.033 0.0229
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0604 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0342 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Schistosoma mansoni bromodomain containing protein 0.0067 0.0722 0.1149
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.033 0.0865
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0092 0.02
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0069 0.0137
Echinococcus multilocularis lamin dm0 0.0027 0.0225 0.0225
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0199 0.0325
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0676 0.0676
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0086 0.0141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Schistosoma mansoni lamin 0.0027 0.0225 0.0336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0019 0.0121 0.0166
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1061 0.1061
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0019 0.0121 0.069
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0154 0.0428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Trichomonas vaginalis esterase, putative 0.0036 0.033 0.9645
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0035 0.0465
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.2707 0.2977
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.0121 0.1679
Toxoplasma gondii target of rapamycin (TOR), putative 0.0019 0.0121 0.0097
Loa Loa (eye worm) hypothetical protein 0.0036 0.033 0.0916
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0019 0.0121 0.1914
Leishmania major hypothetical protein, conserved 0.0053 0.0549 0.8931
Onchocerca volvulus 0.0029 0.0247 0.0065
Brugia malayi isocitrate dehydrogenase 0.0016 0.0086 0.0184
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0116 0.0157
Brugia malayi hypothetical protein 0.03 0.3605 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0108 0.0144
Schistosoma mansoni lamin 0.0027 0.0225 0.0336
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0604 0.0604
Schistosoma mansoni intermediate filament proteins 0.0027 0.0225 0.0336
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0086 0.0994
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0121 0.0282
Loa Loa (eye worm) hypothetical protein 0.0046 0.0457 0.1268
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.033 0.0229
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0549 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0092 0.0254
Leishmania major phosphatidylinositol kinase related protein, putative 0.0019 0.0122 0.0698
Echinococcus granulosus geminin 0.0503 0.6132 1
Loa Loa (eye worm) hypothetical protein 0.03 0.3605 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0604 0.0956
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0225 0.0625
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.013 0.0049
Echinococcus granulosus neuropeptide receptor A26 0.0466 0.5674 0.9254
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.0121 0.1679
Echinococcus multilocularis cpg binding protein 0.0032 0.0292 0.0292
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0342 0.6078
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0549 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.013 0.013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0092 0.0092
Onchocerca volvulus 0.0036 0.033 0.031
Schistosoma mansoni hypothetical protein 0.0503 0.6132 1
Echinococcus granulosus lamin 0.0027 0.0225 0.0368
Brugia malayi CXXC zinc finger family protein 0.0029 0.0247 0.0634
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0011 0.002 0.0033
Brugia malayi hypothetical protein 0.0034 0.0315 0.0823
Schistosoma mansoni hypothetical protein 0.0021 0.0154 0.0219
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0086 0.0086
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0185 0.0302
Echinococcus granulosus GPCR family 2 0.0016 0.0092 0.015
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0086 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0019 0.0121 0.0198
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0342 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.033 0.0277
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.013 0.3401
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0532 0.1429
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0604 0.163
Echinococcus multilocularis neuropeptide s receptor 0.0466 0.5674 0.5674
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0604 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0116 0.0116
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0342 0.6078
Schistosoma mansoni hypothetical protein 0.0016 0.0092 0.0117
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.033 0.0277
Brugia malayi hypothetical protein 0.0053 0.0549 0.1475
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0549 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0208 0.3555
Mycobacterium tuberculosis Conserved protein 0.0036 0.033 0.0277
Loa Loa (eye worm) hypothetical protein 0.0013 0.0051 0.0143
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.013 0.0936
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0342 1
Brugia malayi beta-lactamase family protein 0.0036 0.033 0.0865
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0121 0.1914
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.033 0.0916
Loa Loa (eye worm) hypothetical protein 0.0018 0.0116 0.0322
Onchocerca volvulus 0.0036 0.033 0.031
Mycobacterium ulcerans lipase LipD 0.0036 0.033 0.0229
Schistosoma mansoni ap endonuclease 0.0019 0.013 0.0179
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0604 0.0542
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0529 0.142
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0163 0.271
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0327 0.0855
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0086 0.1248
Loa Loa (eye worm) hypothetical protein 0.0036 0.033 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Onchocerca volvulus 0.03 0.3605 1
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.033 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Leishmania major phosphatidylinositol 3-kinase, putative 0.0019 0.0121 0.069
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0549 1
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0725 0.8888 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.013 0.1836
Echinococcus granulosus dnaJ subfamily B 0.0411 0.4989 0.8137
Brugia malayi beta-lactamase family protein 0.0036 0.033 0.0865
Brugia malayi hypothetical protein 0.0254 0.3043 0.8432
Schistosoma mansoni hypothetical protein 0.0016 0.0092 0.0117
Mycobacterium leprae Probable lipase LipE 0.0036 0.033 0.0042
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0342 0.0557
Loa Loa (eye worm) hypothetical protein 0.0016 0.0092 0.0254
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0086 0.0239
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0676 0.1103
Loa Loa (eye worm) hypothetical protein 0.0042 0.0412 0.1144
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0035 0.0465
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0019 0.0121 0.0166
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.2727 0.7563
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0121 0.0337
Trypanosoma cruzi ISWI complex protein 0.0016 0.0086 0.1238
Brugia malayi PHD-finger family protein 0.0027 0.0229 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0121 0.315
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0108 0.0176
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.013 0.0211

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.46 uM Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry ChEMBL. 24953948
Inhibition (ADMET) = 16.66 % Cytotoxicity against mouse RAW264.7 cells assessed as inhibition of cell viability at 50 uM after 72 hrs by MTT assay ChEMBL. 24953948
MIC (functional) = 21.33 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as growth inhibition after 28 days by agar dilution method ChEMBL. 24953948

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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